Related papers: Electronic structure and magnetism in Ru based per…
Tight-binding models for the recently observed surface electronic bands of SrTiO3 and KTaO3 are analyzed with a view to bringing out the relevance of momentum-space chiral angular momentum structures of both orbital and spin origins.…
The 5$d$ based SrIrO$_3$ represents prototype example of nonmagnetic correlated metal which mainly originates from a combined effect of spin-orbit coupling, lattice dimensionality and crystal structure. Therefore, tuning of these parameters…
We present a comprehensive study on the magnetic structure, dynamics, and phase evolution in the single-phase double perovskite $La_2CoMnO_6$. The mixed valence state due to oxygen deficiency is verified by X-ray photoelectron spectroscopy,…
The magnetic properties of the pyrochlore iridate material Eu$_2$Ir$_2$O$_7$ (5$d^5$) have been studied based on the first principle calculations, where the crystal field splitting $\Delta$, spin-orbit coupling (SOC) $\lambda$ and Coulomb…
Local Spin Density Approximation (LSDA) is used to calculate the energy bands of both the ferromagnetic and paramagnetic phases of metallic CrO_2. The Fermi level lies in a peak in the paramagnetic density of states, and the ferromagnetic…
We investigate the electronic structure of Sr$_3$NiRhO$_6$, a quasi-one-dimensional spin chain system using \emph{ab initio} band structure calculations. Spin polarized calculations within GGA reveal that Ni and Rh have finite moments and…
We present an interacting model for the electronic and magnetic behavior of a strained $(001)$ atomic layer of Sr$_2$FeMoO$_6,$ which shows room-temperature ferrimagnetism and magnetoresistance with potential spintronics application in the…
Phonon spectra of cubic rubidium niobate and rubidium tantalate with the perovskite structure are calculated from first principles within the density functional theory. Based on the analysis of unstable modes in the phonon spectra, the…
We report a comprehensive investigation of the triple perovskite iridate Ba$_{3}$CoIr$_{2}$O$_{9}$. Stabilizing in the hexagonal $P6_{3}/mmc$ symmetry at room temperature, this system transforms to a monoclinic $C2/c$ symmetry at the…
We have studied the transport properties of LaTiO3/SrTiO3 (LTO/STO) heterostructures. In spite of 2D growth observed in reflection high energy electron diffraction, Transmission Electron Microscopy images revealed that the samples tend to…
The electronic and magnetic properties of Sr$_2$CoO$_4$ compound have been studied using $\emph{ab initio}$ electronic structure calculations. As opposed to GGA calculation, which gives ferromagnetic metallic solution, GGA+$U$ calculations…
We present a microscopic theory of carrier-induced ferrimagnetism in metallic double perovskite compounds such as ${\rm Sr}_{2}{\rm FeMoO}_{6}$ and ${\rm Sr}_{2}{\rm FeReO}_{6}$ which have recently attracted intense interest for their…
We have performed the first-principles calculations to study the elasticity, electronic structure, and magnetism of InNCo3 and InNNi3. The independent elastic constants are derived from the second derivative of total energy as a function of…
We have carried out a comparative theoretical study of the electronic structure of the novel one-dimensional Ca$_3$CoRhO$_6$ and Ca$_3$FeRhO$_6$ systems. The insulating antiferromagnetic state for the Ca$_3$FeRhO$_6$ can be well explained…
Polycrystalline rhodium(IV) oxide perovskite SrRhO3 was obtained by high-pressure synthesis techniques, followed by measurements of the magnetic susceptibility, electrical resistivity, and specific heat. The title compound has five…
he structural, transport, magnetic and optical properties of the double perovskite $A_2$CrWO$_6$ with $A=\text{Sr, Ba, Ca}$ have been studied. By varying the alkaline earth ion on the $A$ site, the influence of steric effects on the Curie…
We have synthesized Sr$_6$Co$_5$O$_{15}$, a quasi-one-dimensional oxide, measured its magnetic properties and calculated its electronic structure by ab initio techniques. We have found strong evidence for its electronic and magnetic…
The evolution of the magnetic ordering temperature of the 4d3 perovskites RTcO3 (R=Ca,Sr,Ba) and its relation with its electronic and structural properties has been studied by means of hybrid density functional theory and Monte Carlo…
Understanding the structural underpinnings of magnetism is of great fundamental and practical interest. Se_{1-x}Te_{x}CuO_{3} alloys are model systems for the study of this question, as composition-induced structural changes control their…
The high temperature ferromagnetism in Sr3YCo4O10+delta perovskite, whose origin has been the subject of a considerable debate, has been studied by neutron powder diffraction and synchrotron X-ray diffraction measurements. Oxygen vacancy…